ethyl N-[7-{3-[(cyclopropylmethyl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[7-{3-[(cyclopropylmethyl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
ethyl N-[7-{3-[(cyclopropylmethyl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S629-2175 |
| Compound Name: | ethyl N-[7-{3-[(cyclopropylmethyl)amino]-3-oxopropyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C22 H31 N3 O5 |
| Smiles: | CCOC(CCNC(N1CCOc2ccc(CCC(NCC3CC3)=O)cc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0931 |
| logD: | 2.0931 |
| logSw: | -2.9185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.969 |
| InChI Key: | WLJXMBPODCFIDJ-UHFFFAOYSA-N |